2-[4-[3-(1,3-benzothiazol-2-yl)propanoyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide

Systemtic Name: 2-[4-[3-(1,3-benzothiazol-2-yl)propanoyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-[3-(1,3-benzothiazol-2-yl)propanoyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[4-[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]-1-piperazin-1-iumyl]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-[3-(1,3-benzothiazol-2-yl)propanoyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[4-[3-(1,3-benzothiazol-2-yl)propanoyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C[NH+]1CCN(CC1)C(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COCCCNC(=O)C[NH+]1CCN(CC1)C(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H28N4O3S/c1-27-14-4-9-21-18(25)15-23-10-12-24(13-11-23)20(26)8-7-19-22-16-5-2-3-6-17(16)28-19/h2-3,5-6H,4,7-15H2,1H3,(H,21,25)/p+1